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nystatin A1

MNXM65071 is deprecated and here replaced by MNXM1368656
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368656 Image of MNXM1368656
referencechebi:473992
formulaC47H75NO17
global charge0
mol weight926.107
InChIKeyVQOXZBDYSJBXMA-NQTDYLQESA-N
InChIInChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
SMILESC[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O
MNX internals
InChI (mnx)InChI=1/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 Image of MNXM1368656
SMILES (mnx)[CH3:1][C@H:27]1/[CH:17]=[CH:15]/[CH:13]=[CH:11]/[CH2:9][CH2:7]/[CH:5]=[CH:6]/[CH:8]=[CH:10]/[CH:12]=[CH:14]/[CH:16]=[CH:18]/[C@H:34]([O:64][C@H:46]2[C@@H:44]([OH:58])[C@@H:41]([NH2:48])[C@H:43]([OH:57])[C@@H:30]([CH3:4])[O:63]2)[CH2:24][C@H:38]2[C@H:40]([C:45](=[O:59])[OH:60])[C@@H:37]([OH:54])[CH2:26][C@@:47]([OH:61])([CH2:25][C@@H:36]([OH:53])[C@H:35]([OH:52])[CH2:20][CH2:19][C@@H:31]([OH:49])[CH2:21][C@@H:32]([OH:50])[CH2:22][C@@H:33]([OH:51])[CH2:23][C:39](=[O:55])[O:62][C@@H:29]([CH3:3])[C@H:28]([CH3:2])[C@@H:42]1[OH:56])[O:65]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:473992
chebi:473992
VQOXZBDYSJBXMA-NQTDYLQESA-N 		nystatin A1
(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

kegg.compound:C12155
keggC:C12155
VQOXZBDYSJBXMA-NQTDYLQESA-N 		Nystatin A1

seed.compound:cpd08936
seedM:cpd08936
VQOXZBDYSJBXMA-NQTDYLQESA-N 		Nystatin A1
nystatin
nystatin A1

metacyc.compound:CPD-17212
metacycM:CPD-17212
VQOXZBDYSJBXMA-NQTDYLQESA-N 		nystatin A1
nystatin

chebi:31926
keggC:M_C12155
seedM:M_cpd08936 		secondary/obsolete/fantasy identifier